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Compound InformationSONAR Target prediction
Name:

CEDRELONE

Unique Identifier:SPE00100009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:392.275 g/mol
X log p:9.314  (online calculus)
Lipinksi Failures1
TPSA55.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:1
Canonical Smiles:CC1(C)C(=O)C=CC2(C)C3CCC4(C)C(CC5OC54C3(C)C(=O)C(O)=C12)c1cocc1
Class:limonoid
Source:Cedrela species
Reference:J Chem Soc 1963: 2506, 2515

Found: 196 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [196]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.6560±0.0111723
Normalized OD Score: sc h 0.9731±0.00300631
Z-Score: -1.3190±0.207236
p-Value: 0.191904
Z-Factor: -2.46318
Fitness Defect: 1.6508
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.040499999999999994±0.00064
Plate DMSO Control (-):0.6581250000000001±0.02365
Plate Z-Factor:0.8701
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DBLink | Rows returned: 4
3083689
5136005
6548070
6708509

internal high similarity DBLink | Rows returned: 1
SPE00100005 0.9595

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100005 0
LAT001A02 0

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